SCHEMBL933585

SCHEMBL933585

CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1c1ncc(-c2ccc3nc(-c4ccc(-c5c[nH]c([C@@H]6CCCN6C(=O)[C@H](C(C)C)N(C)C(=O)O)n5)cc4)cnc3c2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 9/20 0.45
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
KCNH2 Q12809 2/20 0.40
NR1I2 O75469 2/20 0.40
CYP1A2 P05177 2/20 0.40
ABCB11 O95342 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
CYP2D6 P10635 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL1884866 0.97 PRCP (0.44) PRCPCYP3A4CYP2C9KCNH2NR1I2
Trifluoroacetic Acid SCHEMBL1884871 0.97 PRCP (0.44) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL933118 0.93 CYP3A4 (0.42) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL933121 0.93 CYP3A4 (0.42) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL949234 0.92 CYP3A4 (0.41) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL1884867 0.91 PRCP (0.42) PRCPCYP3A4CYP2C9KCNH2NR1I2
Trifluoroacetic Acid SCHEMBL1888959 0.91 CYP3A4 (0.41) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL1882902 0.91 CYP3A4 (0.44) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL1890445 0.90 CYP3A4 (0.40) PRCPCYP3A4CYP2C9KCNH2NR1I2
Trifluoroacetic Acid SCHEMBL1880874 0.90 CYP3A4 (0.40) PRCPCYP3A4CYP2C9KCNH2NR1I2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
WO-2011004276-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-01-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110112100-A1 Hepatitis C Virus Inhibitors HAVCR2, SLC10A1, HCCS PRCP 211/4885CYP3A4 237/4885CYP2C9 322/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.